>Non-zero NZVAR is not required for hessian runs unless you are >requesting one of PURIFY, PRTIFC, or DECOMP keywords in $FORCE>group, see the description of $FORCE group in the Firefly_input_v2.txt>file which is coming as a part of Firefly's documentation.

>>>As to DLCs, please take in mind that normally there is a little sense>>>to use DLCs in any computations except for geometry optimization >>>or saddle point location runs! This means that most commonly >>>you need to provide non-zero NZVAR only for these two types of jobs. >>>Otherwise, do not specify NZVAR variable and this will save you a lot of time.

>>>Kind regards,>>>Alex Granovsky>>>>>>>>>>>>>>>>>>On Tue Feb 7 '17 7:54am, Siddheshwar Chopra wrote>>>------------------------------------------------->>>>Dear Alex,>>>>Thank you for taking time for answering my question. No issues at all.>>>>I tried what you have suggested, and it worked well. Thank you for this kind help.>>>>Could you also clarify this? Why didn't FIREFLY give any error related to lesser NZVAR in this case? Is it due to the ghost atoms?

>>>>>>>Kind regards,>>>>>>>Alex Granovsky>>>>>>>>>>>>>>>>>>>>>>>>>>>>On Sat Jan 28 '17 4:08pm, Siddheshwar Chopra wrote>>>>>>>-------------------------------------------------->>>>>>>>Dear All,>>>>>>>>This is the first time that I am trying to calculate BSSE corrected energies. Say, I have a system of A+B with A=30 A atoms and B= 1 B atom. Firefly ran properly for E(A)ab, but strangely giving memory error for E(B)ab (notations are as per the manual). Why is this happening? and how to get over it. Please guide me.